(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one

C11H15NO2 — CID 51371469

IUPAC(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one
SMILESCN[C@@H](C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H15NO2/c1-8(12-2)11(13)9-4-6-10(14-3)7-5-9/h4-8,12H,1-3H3/t8-/m0/s1
InChIKeyMQUIHBQDYYAEMH-QMMMGPOBSA-N
MW193.25 g/mol
LogP1.49
Rot. Bonds4

About (2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one

(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one (PubChem CID 51371469) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one
PubChem CID51371469
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one
SMILESCN[C@@H](C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H15NO2/c1-8(12-2)11(13)9-4-6-10(14-3)7-5-9/h4-8,12H,1-3H3/t8-/m0/s1
InChIKeyMQUIHBQDYYAEMH-QMMMGPOBSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
4-(4-methoxyphenyl)-3-(methylamino)-4-oxobutanoic acid
CID 82322522
tert-butyl N-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091062
1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one
CID 82100647
1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one
CID 64640564
1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one
CID 82100724
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
1-[4-(dimethylamino)phenyl]-2-(methylamino)propan-1-one
CID 83971810
(2S)-2-bromo-1,2-bis(4-methoxyphenyl)ethanone
CID 40529587
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one
CID 82100112
sodium;2,2-dihydroxy-1-(4-methoxyphenyl)ethanone;hydride
CID 173420090

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one?
The IUPAC name of (2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one (CID 51371469) is (2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one.
What is the SMILES notation for (2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one?
The canonical SMILES for (2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one is CN[C@@H](C)C(=O)c1ccc(OC)cc1.
What is the InChIKey of (2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one?
The InChIKey is MQUIHBQDYYAEMH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(12-2)11(13)9-4-6-10(14-3)7-5-9/h4-8,12H,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one?
(2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one has a molecular weight of 193.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methoxyphenyl)-2-(methylamino)propan-1-one is sourced from PubChem (CID 51371469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).